SpectraBase Spectrum ID |
Ivc4I7iFg3P |
Name |
1-piperidinecarboxylic acid, 4-[3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-, 1,1- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
489.157910164 u |
Formula |
C23H25ClFN5O4 |
InChI |
InChI=1S/C23H25ClFN5O4/c1-23(2,3)34-22(33)29-8-6-13(7-9-29)18-11-19(31)30-20(28-18)15(12-26-30)21(32)27-14-4-5-17(25)16(24)10-14/h4-5,10-13,31H,6-9H2,1-3H3,(H,27,32) |
InChIKey |
BCQKLGVGCVHQQH-UHFFFAOYSA-N |
Molecular Weight |
489.935 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_2783 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12688931 |